Monomers

Triallyl citrate

Identifiers

IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 42 41  0  0  0  0  0  0  0  0999 V2000
   -3.8384   -4.6889    1.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9716   -3.4695    0.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1457   -3.0535   -0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -1.9716    0.2278 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411   -1.2643   -0.4889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031   -1.5691   -1.6656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7021   -0.1162    0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7116   -0.3920    0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6616   -0.7224   -0.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1229    0.1284   -1.3783 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1218   -2.0365   -0.7282 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0893   -2.3939   -1.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4012   -1.7412   -1.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273   -0.9591   -0.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0500    1.1295   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4347    2.3622   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7905    2.5496   -0.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2127    3.3759    0.4973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7589    4.5874    1.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0421    5.3933    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1806    5.8141    0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2902    0.0765    1.4594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1518   -5.3685    0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4267   -5.0061    2.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6331   -2.7733    1.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5886   -3.8969   -0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9432   -2.7294   -0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7113   -1.1633    1.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0941    0.5405    0.9745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2643   -3.4574   -1.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8159   -2.1588   -2.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1873   -1.9407   -2.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6343   -0.5423   -0.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9068   -0.6844    0.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9278    1.0357   -1.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1735    1.2656   -0.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1133    4.3990    1.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6589    5.1519    1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6638    5.6937   -0.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961    6.1123    0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747    5.2840    1.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0477   -0.8003    1.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
  7 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
  7 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  8 28  1  0
  8 29  1  0
 12 30  1  0
 12 31  1  0
 13 32  1  0
 14 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 19 37  1  0
 19 38  1  0
 20 39  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers